SCHEMBL18654725

SCHEMBL18654725

COC1=CC=C(NC(=O)c2c(C)nc3ccc(-c4cccc(OC(F)(F)F)c4)nn23)NN1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 12/20 0.51
▸ CLK2 P49760 1/20 0.49
▸ HASPIN Q8TF76 1/20 0.49
▸ FYN P06241 4/20 0.47
▸ RIPK1 Q13546 2/20 0.43
▸ IRAK4 Q9NWZ3 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18654738 0.91 FYN (0.47) DYRK1ACLK2HASPINFYNRIPK1
SCHEMBL18655138 0.91 DYRK1A (0.51) DYRK1ACLK2HASPINFYNRIPK1
SCHEMBL18654986 0.88 MAPT (0.43) FYN
SCHEMBL18654777 0.87 FYN (0.39) FYN
SCHEMBL18654740 0.85 RIPK1 (0.40) FYNRIPK1
SCHEMBL14897340 0.82 DYRK1A (0.52) DYRK1ACLK2HASPINFYNRIPK1
SCHEMBL18654743 0.81 MAPT (0.36) FYNRIPK1
SCHEMBL14897201 0.81 DYRK1A (0.53) DYRK1ACLK2HASPINFYNRIPK1
SCHEMBL18655240 0.80 CSNK1D (0.36) FYN
SCHEMBL18654739 0.80 POLB (0.35) FYN

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2768509-B1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2017-03-22 — — EP disclosed
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